6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C15H20N6S — CID 95764283

IUPAC6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cnn(C[C@H]2CCCCN2c2nn3cc(C)nc3s2)c1
InChIInChI=1S/C15H20N6S/c1-11-7-16-19(8-11)10-13-5-3-4-6-20(13)15-18-21-9-12(2)17-14(21)22-15/h7-9,13H,3-6,10H2,1-2H3/t13-/m1/s1
InChIKeyUFMOETVYPQIULX-CYBMUJFWSA-N
MW316.43 g/mol
LogP2.66
Rot. Bonds3

About 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 95764283) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID95764283
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESCc1cnn(C[C@H]2CCCCN2c2nn3cc(C)nc3s2)c1
InChIInChI=1S/C15H20N6S/c1-11-7-16-19(8-11)10-13-5-3-4-6-20(13)15-18-21-9-12(2)17-14(21)22-15/h7-9,13H,3-6,10H2,1-2H3/t13-/m1/s1
InChIKeyUFMOETVYPQIULX-CYBMUJFWSA-N
XLogP2.66
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 95764283) is 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Cc1cnn(C[C@H]2CCCCN2c2nn3cc(C)nc3s2)c1.
What is the InChIKey of 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is UFMOETVYPQIULX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N6S/c1-11-7-16-19(8-11)10-13-5-3-4-6-20(13)15-18-21-9-12(2)17-14(21)22-15/h7-9,13H,3-6,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 316.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 95764283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).